4,5-dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid

C55H51Cl2N7O6 — CID 143631175

IUPAC4,5-dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid
SMILESCOc1ccccc1-c1nc(C2CCN(C(=O)NCc3ccc(C)cc3)CC2)n2cc(-c3ccn4c(C5CCN(C(=O)c6cc(Cl)c(Cl)cc6C(=O)O)CC5)nc(-c5ccccc5OC)c4c3)ccc12
InChIInChI=1S/C55H51Cl2N7O6/c1-33-12-14-34(15-13-33)31-58-55(68)62-25-20-36(21-26-62)52-59-49(39-8-4-6-10-47(39)69-2)45-17-16-38(32-64(45)52)37-22-27-63-46(28-37)50(40-9-5-7-11-48(40)70-3)60-51(63)35-18-23-61(24-19-35)53(65)41-29-43(56)44(57)30-42(41)54(66)67/h4-17,22,27-30,32,35-36H,18-21,23-26,31H2,1-3H3,(H,58,68)(H,66,67)
InChIKeyMYFUZEVJLZQTGS-UHFFFAOYSA-N
MW976.96 g/mol
LogP11.42
Rot. Bonds11

About 4,5-dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid

4,5-dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid (PubChem CID 143631175) has the molecular formula C55H51Cl2N7O6 and a molecular weight of 976.96 g/mol. Its IUPAC name is 4,5-dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name4,5-dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid
PubChem CID143631175
Molecular FormulaC55H51Cl2N7O6
Molecular Weight976.96 g/mol
Exact Mass975.33
IUPAC Name4,5-dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid
SMILESCOc1ccccc1-c1nc(C2CCN(C(=O)NCc3ccc(C)cc3)CC2)n2cc(-c3ccn4c(C5CCN(C(=O)c6cc(Cl)c(Cl)cc6C(=O)O)CC5)nc(-c5ccccc5OC)c4c3)ccc12
InChIInChI=1S/C55H51Cl2N7O6/c1-33-12-14-34(15-13-33)31-58-55(68)62-25-20-36(21-26-62)52-59-49(39-8-4-6-10-47(39)69-2)45-17-16-38(32-64(45)52)37-22-27-63-46(28-37)50(40-9-5-7-11-48(40)70-3)60-51(63)35-18-23-61(24-19-35)53(65)41-29-43(56)44(57)30-42(41)54(66)67/h4-17,22,27-30,32,35-36H,18-21,23-26,31H2,1-3H3,(H,58,68)(H,66,67)
InChIKeyMYFUZEVJLZQTGS-UHFFFAOYSA-N
XLogP11.42
TPSA143.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.96
LogP ≤ 511.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4,5-dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid with MolForge

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Related Compounds

4,5-Dichloro-2-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid
CID 24811897
4,5-Dichloro-2-[4-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid
CID 24812005
4,5-Dichloro-2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid
CID 24812410
2-[4-[[2-(4-Chlorophenyl)-5-(propan-2-ylcarbamoyl)phenyl]methoxy]phenyl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid;hydrochloride
CID 69471541
2-[4-[[2-(4-Chlorophenyl)-5-(propan-2-ylcarbamoyl)phenyl]methoxy]phenyl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 69471542
2-[4-[[2-(4-Chlorophenyl)-5-(propan-2-ylcarbamoyl)phenyl]methoxy]phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxylic acid;hydrochloride
CID 69471544
2-[4-[[2-(4-Chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]methoxy]phenyl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid;hydrochloride
CID 69472347
2-[4-[[2-(4-Chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]methoxy]phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxylic acid;hydrochloride
CID 69472351
2-[1-[(4-Chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid
CID 157318148
3-Methoxy-4-pyridin-2-ylbenzoic acid;3-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,5-a]pyridine;pyridin-2-ylmethanamine
CID 158128492
N-butyl-3,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-(3-methylbutyl)benzamide;4-hexyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-(3-methylbutyl)-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 159223555
2-[1-[2-(4-Chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chloro-2-methylphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid
CID 159456607

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid?
The IUPAC name of 4,5-dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid (CID 143631175) is 4,5-dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid.
What is the SMILES notation for 4,5-dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid?
The canonical SMILES for 4,5-dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid is COc1ccccc1-c1nc(C2CCN(C(=O)NCc3ccc(C)cc3)CC2)n2cc(-c3ccn4c(C5CCN(C(=O)c6cc(Cl)c(Cl)cc6C(=O)O)CC5)nc(-c5ccccc5OC)c4c3)ccc12.
What is the InChIKey of 4,5-dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid?
The InChIKey is MYFUZEVJLZQTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H51Cl2N7O6/c1-33-12-14-34(15-13-33)31-58-55(68)62-25-20-36(21-26-62)52-59-49(39-8-4-6-10-47(39)69-2)45-17-16-38(32-64(45)52)37-22-27-63-46(28-37)50(40-9-5-7-11-48(40)70-3)60-51(63)35-18-23-61(24-19-35)53(65)41-29-43(56)44(57)30-42(41)54(66)67/h4-17,22,27-30,32,35-36H,18-21,23-26,31H2,1-3H3,(H,58,68)(H,66,67).
What are the key properties of 4,5-dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid?
4,5-dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid has a molecular weight of 976.96 g/mol, XLogP of 11.42, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid is sourced from PubChem (CID 143631175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).